ChemSpider 2D Image | 3-({4-[(Difluoromethyl)sulfonyl]benzyl}sulfanyl)-5-(1-naphthylmethyl)-4H-1,2,4-triazol-4-amine | C21H18F2N4O2S2

3-({4-[(Difluoromethyl)sulfonyl]benzyl}sulfanyl)-5-(1-naphthylmethyl)-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC21H18F2N4O2S2
  • Average mass460.520 Da
  • Monoisotopic mass460.083923 Da
  • ChemSpider ID48240413

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-({4-[(Difluormethyl)sulfonyl]benzyl}sulfanyl)-5-(1-naphthylmethyl)-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
3-({4-[(Difluoromethyl)sulfonyl]benzyl}sulfanyl)-5-(1-naphthylmethyl)-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-({4-[(Difluorométhyl)sulfonyl]benzyl}sulfanyl)-5-(1-naphtylméthyl)-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[[4-[(difluoromethyl)sulfonyl]phenyl]methyl]thio]-5-(1-naphthalenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 729.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 253.72
ACD/KOC (pH 5.5): 1830.66
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.78
ACD/KOC (pH 7.4): 1831.12
Polar Surface Area: 125 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

Click to predict properties on the Chemicalize site


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